N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Name: (1S,2R,3S)-3-amino-4-cyclohexyl-1-cyclopropyl-butane-1,2-diol
SMILES: N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

Molecular Processing

Molecular formula
C13H25NO2
Molecular weight
227.35
Exact mass
227.1885
XLogP
1.42
TPSA
66.48
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
63.91

Supplementary Information

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